6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]pyrimidin-4-olate Formula: C24H25N4O2S- MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H26N4O2S/c1-18-6-5-9-21(14-18)27-10-12-28(13-11-27)23(30)16-20-15-22(29)26-24(25-20)31-17-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,25,26,29)/p-1